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(Ca1−xPrx)2(Co1−yAly)2O5, a brownmillerite structure

✍ Scribed by Lee, J. Y. ;Swinnea, J. S. ;Steinfink, H.


Book ID
114508230
Publisher
International Union of Crystallography
Year
1991
Tongue
English
Weight
342 KB
Volume
47
Category
Article
ISSN
0108-2701

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A Computer Simulation Investigation of B
✍ C.A.J. Fisher; M.S. Islam; R.J. Brook 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 224 KB

Atomistic simulation techniques have been used to investigate the crystal structure and defect energetics of Ba 2 In 2 O 5 . An interatomic potential model was developed that reproduces the orthorhombic brownmillerite structure, with alternating layers of oxygen octahedra and tetrahedra. Defect calc